Structure of PDB 1oyj Chain D Binding Site BS01
Receptor Information
>1oyj Chain D (length=223) Species:
4530
(Oryza sativa) [
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EEKELVLLDFWVSPFGQRCRIAMAEKGLEFEYREEDLGNKSDLLLRSNPV
HRKIPVLLHAGRPVSESLVILQYLDDAFPGTPHLLPPANSADAAYARATA
RFWADYVDRKLYDCGSRLWRLKGEPQAAAGREMAEILRTLEAELGDREFF
GGGGGGRLGFVDVALVPFTAWFYSYERCGGFSVEEVAPRLAAWARRCGRI
DSVVKHLPSPEKVYDFVGVLKKK
Ligand information
Ligand ID
GSH
InChI
InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKey
RWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES
Software
SMILES
ACDLabs 12.01
O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6
C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370
N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6
C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
Formula
C10 H17 N3 O6 S
Name
GLUTATHIONE
ChEMBL
CHEMBL1543
DrugBank
DB00143
ZINC
ZINC000003830891
PDB chain
1oyj Chain D Residue 805 [
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Receptor-Ligand Complex Structure
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PDB
1oyj
Forced evolution of a herbicide detoxifying glutathione transferase.
Resolution
1.95 Å
Binding residue
(original residue number in PDB)
S15 F17 L39 K42 K55 I56 E68 S69
Binding residue
(residue number reindexed from 1)
S13 F15 L37 K40 K53 I54 E66 S67
Annotation score
4
Enzymatic activity
Enzyme Commision number
2.5.1.18
: glutathione transferase.
Gene Ontology
Molecular Function
GO:0004364
glutathione transferase activity
GO:0016740
transferase activity
Biological Process
GO:0006749
glutathione metabolic process
Cellular Component
GO:0005737
cytoplasm
View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:1oyj
,
PDBe:1oyj
,
PDBj:1oyj
PDBsum
1oyj
PubMed
12692133
UniProt
Q10CE7
|GSTU1_ORYSJ Probable glutathione S-transferase GSTU1 (Gene Name=GSTU1)
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